1-(2,3-dihydro-1H-inden-1-yl)benzimidazole

C16H14N2 — CID 54576638

IUPAC1-(2,3-dihydro-1H-inden-1-yl)benzimidazole
SMILESc1ccc2c(c1)CCC2n1cnc2ccccc21
InChIInChI=1S/C16H14N2/c1-2-6-13-12(5-1)9-10-15(13)18-11-17-14-7-3-4-8-16(14)18/h1-8,11,15H,9-10H2
InChIKeyROHNFNCQSRHQEL-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.57
Rot. Bonds1

About 1-(2,3-dihydro-1H-inden-1-yl)benzimidazole

1-(2,3-dihydro-1H-inden-1-yl)benzimidazole (PubChem CID 54576638) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)benzimidazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)benzimidazole
PubChem CID54576638
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)benzimidazole
SMILESc1ccc2c(c1)CCC2n1cnc2ccccc21
InChIInChI=1S/C16H14N2/c1-2-6-13-12(5-1)9-10-15(13)18-11-17-14-7-3-4-8-16(14)18/h1-8,11,15H,9-10H2
InChIKeyROHNFNCQSRHQEL-UHFFFAOYSA-N
XLogP3.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139228300
1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid
CID 59324919
3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314238
2,6-dichloro-7-(2,3-dihydro-1H-inden-1-yl)purine
CID 16733520
3-[(1S)-2,3-dihydro-1H-inden-1-yl]imidazole-4-carboxylic acid
CID 129410334
4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
CID 171992049
(3S)-3-(4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51721884
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine
CID 121317709
3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
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4-(benzimidazol-1-yl)-1,1-dioxothiolan-3-ol
CID 60665758

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)benzimidazole?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)benzimidazole (CID 54576638) is 1-(2,3-dihydro-1H-inden-1-yl)benzimidazole.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)benzimidazole?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)benzimidazole is c1ccc2c(c1)CCC2n1cnc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)benzimidazole?
The InChIKey is ROHNFNCQSRHQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-6-13-12(5-1)9-10-15(13)18-11-17-14-7-3-4-8-16(14)18/h1-8,11,15H,9-10H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)benzimidazole?
1-(2,3-dihydro-1H-inden-1-yl)benzimidazole has a molecular weight of 234.30 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)benzimidazole is sourced from PubChem (CID 54576638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).